Molecular and crystal structure of polyclic chainlike compounds - Oxazole and 1,3,4-oxadiazole derivatives: I. Symmetric 2,5-diphenyl-, 2,5-di-2-furyl-, and 2,5-di-2-thienyl-1-3-4-oxidiazoles / Kuznetsov V.P., Patsenker L.D., Lokshin A.I., Tolmachev A.V. // Crystallography Reports. - 1998. - V. 43, l. 3. - P. 430-438.

ISSN:

10637745

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Article

Abstract:

The X-ray crystal structures of 2,5-diphenyl-(I), 2,5-di-2-furyl-(II), and 2,5-di-2-thienyl-(III) 1,3,4-oxadiazoles were determined. Crystals I-III are monoclinic. Compound I: a = 5.203(2), b = 18.143(6), and c = 12.184(4) Å; β = 93.24(3)°; V= 1148.3(7) Å3; Z = 4 (C14H10N2O); dcalc = 1.285 g/cm3; sp. gr. P21/c. Compound II: a = 5.789(2), b = 10.630(4), and c = 14.911(5) Å; β = 96.44(2)°; V = 911.9(5) Å3; Z = 4 (C10H6N2O3); dcalc = 1.473 g/cm3; sp. gr. P21/n. Compound III: a = 18.734(7), b = 12.802(3), and c = 8.973(3) Å; β = 101.88(3)°; V = 2105.9(11) Å3; Z = 8 (C10H6N2OS2); dcalc = 1.478 g/cm3; sp. gr. P21/c. The angles between the planes of the rings are no larger than 10°. Molecular deformations observed in I-III are due to intermolecular interactions. In crystal, molecules II and III adopt conformations with relative s-trans orientations of the double bonds of adjacent heterocycles.

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Поле	Значение
Link	https://www.scopus.com/inward/record.uri?eid=2-s2.0-0032397795&partnerID=40&md5=bc1ac1bbe05189e6733538fe11d38da3
Affiliations	Institute of Single Crystals, Natl. Academy of Sciences of Ukraine, Kharkov, Ukraine
References	Krasovitskii, B.M., Bolotin, B.M., (1984) Organicheskie Lyuminofory (Organic Luminophores), , Moscow: Khimiya; Ambats, I., Marsh, R.E., (1965) Acta Crystallogr., 19, p. 942; Pozharskii, A.F., (1985) Osnovy Khimii Geterotsiklov (Principles of the Chemistry of Heterocycles), , Moscow: Khimiya; Hayes, F.N., Rogers, B.S., Ott, D.G., (1955) J. Am. Chem. Soc., 77 (7), p. 1850; (1938) Beilsteins Handbuch der Organischen Chemie (Beilstein's Handbook of Organic Chemistry), 27, p. 577. , Berlin: Springer; Zefirov, Yu.V., (1994) Kristallografiya, 39 (6), p. 1025
Correspondence Address	Kuznetsov, V.P.; Institute of Single Crystals, Natl. Academy of Sciences of Ukraine, Kharkov, Ukraine
Language of Original Document	English
Abbreviated Source Title	Crystallogr. Rep.
Source	Scopus